(2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

C23H21N3O5 — CID 71662259

IUPAC(2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1OC
InChIInChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m0/s1
InChIKeyGMAPNQAGUQCFQS-AWEZNQCLSA-N
MW419.44 g/mol
LogP4.31
Rot. Bonds7

About (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide

(2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 71662259) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
PubChem CID71662259
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name(2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1OC
InChIInChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m0/s1
InChIKeyGMAPNQAGUQCFQS-AWEZNQCLSA-N
XLogP4.31
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide (CID 71662259) is (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is COc1cccc(O[C@@H](C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1OC.
What is the InChIKey of (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is GMAPNQAGUQCFQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-14(30-20-6-4-5-19(28-2)21(20)29-3)22(27)25-16-7-8-18-17(13-16)26-23(31-18)15-9-11-24-12-10-15/h4-14H,1-3H3,(H,25,27)/t14-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide?
(2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 419.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethoxyphenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 71662259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).